6-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-6-oxo-hexanoic acid CAS Name: 6-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-6-oxohexanoic acid Traditional Name: 6-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-6-keto-hexanoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCCC(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCCC(=O)O)C

InChI

InChI=1S/C13H16N2O3S/c1-8-9(2)19-13(10(8)7-14)15-11(16)5-3-4-6-12(17)18/h3-6H2,1-2H3,(H,15,16)(H,17,18)